Journal Article

PUBDB-2024-00101

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Inverse problems in pump-probe spectroscopy

Tikhonov, D. (Corresponding author)DESY* ; Garg, D.DESY* ; Schnell, M. (Corresponding author)DESY*

2024
MDPI Basel, Switzerland

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Please use a persistent id in citations: doi:10.3390/photochem4010005  doi:10.3204/PUBDB-2024-00101

Abstract: Ultrafast pump-probe spectroscopic studies allow for deep insights into the mechanisms and timescales of photophysical and photochemical processes. Extracting valuable information from these studies, such as reactive intermediates’ lifetimes and coherent oscillation frequencies, is an example of the inverse problems of chemical kinetics. This article describes a consistent approach for solving this inverse problem that avoids the common obstacles of simple least-squares fitting that can lead to unreliable results. The presented approach is based on the regularized Markov Chain Monte Carlo sampling for the strongly nonlinear parameters, allowing for a straightforward solution of the ill-posed nonlinear inverse problem. The software to implement the described fitting routine is introduced and the numerical examples of its application are given. We will also touch on criticalexperimental parameters, such as the temporal overlap of pulses and cross-correlation time and their connection to the minimal reachable time resolution.

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Contributing Institute(s):

1. Spectroscopy of molecular processes (FS-SMP)

Research Program(s):

1. 631 - Matter – Dynamics, Mechanisms and Control (POF4-631) (POF4-631)
2. FS-Proposal: F-20191568 (F-20191568) (F-20191568)

Experiment(s):

1. FLASH Beamline BL1 (FLASH)

Appears in the scientific report 2024

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